Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies

Wang, Juan; Chaos, Marcos; Yang, Bin; Cool, Terrill A.; Dryer, Fred L.; Kasper, Tina; Hansen, Nils; Oßwald, Patrick; Kohse-Höinghaus, Katharina; Westmoreland, Phillip R.

doi:10.1039/b815988b

Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies

Journal Article · Thu Jan 15 04:00:00 EST 2009 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/b815988b· OSTI ID:1060546

Wang, Juan ^[1]; Chaos, Marcos; Yang, Bin; Cool, Terrill A.; Dryer, Fred L.; Kasper, Tina; Hansen, Nils; Oßwald, Patrick; Kohse-Höinghaus, Katharina; Westmoreland, Phillip R.

Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551

Molecular-beam synchrotron photoionization mass spectrometry and electron-ionization mass spectrometry are used for measurements of species mole fraction profiles for low-pressure premixed dimethyl ether (DME)flames with equivalence ratios ranging from near-stoichiometric conditions (Phi = 0.93) to fuel-rich flames near the limits of flat-flame stability (Phi = 1.86). The results are compared with predictions of a recently modified kinetic model for DME combustion [Zhao et al., Int. J. Chem. Kinet., 2008, 40, 1-18] that has been extensively tested against laminar flame speed measurements, jet-stirred reactor experiments, pyrolysis and oxidation experiments in flow reactors, species measurements for burner-stabilized flames and ignition delay measurements in shock tubes. The present comprehensive measurements of the composition of reaction intermediates over a broad range of equivalence ratios considerably extends the range of the previous experiments used for validation of this model and allows for an accurate determination of contributions of individual reactions to the formation or destruction of any given flame species. The excellent agreement between measurements and predictions found for all major and most intermediate species over the entire range of equivalence ratios provides a uniquely sensitive test of details of the kinetic model. The dependence on equivalence ratio of the characteristic reaction paths in DME flames is examined within the framework of reaction path analyses.

Research Organization:: Cornell Univ., Ithaca, NY (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: FG02-01ER15180

OSTI ID:: 1060546

Report Number(s):: DOE-ER15180-13

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 9 Vol. 11; ISSN 1463-9076

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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